3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide

C27H24Cl2N4O2 — CID 142812571

About 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide

3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 142812571) has the molecular formula C27H24Cl2N4O2 and a molecular weight of 507.42 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
• PubChem CID: 142812571
• Molecular Formula: C27H24Cl2N4O2
• Molecular Weight: 507.42 g/mol
• Exact Mass: 506.13
• IUPAC Name: 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide
• SMILES: O=CC1(CNc2ccc3nc(-c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4)[nH]c3c2)CCCC1
• InChI: InChI=1S/C27H24Cl2N4O2/c28-19-11-18(12-20(29)13-19)26(35)31-21-5-3-17(4-6-21)25-32-23-8-7-22(14-24(23)33-25)30-15-27(16-34)9-1-2-10-27/h3-8,11-14,16,30H,1-2,9-10,15H2,(H,31,35)(H,32,33)
• InChIKey: BZJXHCXHAJNUHL-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 86.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.42
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?

The IUPAC name of 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide (CID 142812571) is 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide.

What is the SMILES notation for 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?

The canonical SMILES for 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide is O=CC1(CNc2ccc3nc(-c4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4)[nH]c3c2)CCCC1.

What is the InChIKey of 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?

The InChIKey is BZJXHCXHAJNUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N4O2/c28-19-11-18(12-20(29)13-19)26(35)31-21-5-3-17(4-6-21)25-32-23-8-7-22(14-24(23)33-25)30-15-27(16-34)9-1-2-10-27/h3-8,11-14,16,30H,1-2,9-10,15H2,(H,31,35)(H,32,33).

What are the key properties of 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide?

3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 507.42 g/mol, XLogP of 6.96, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[4-[6-[(1-formylcyclopentyl)methylamino]-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 142812571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).